2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine

C12H18FIN2 — CID 66102264

IUPAC2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine
SMILESCN(CC(C)(C)C)c1cc(F)c(I)cc1N
InChIInChI=1S/C12H18FIN2/c1-12(2,3)7-16(4)11-5-8(13)9(14)6-10(11)15/h5-6H,7,15H2,1-4H3
InChIKeyADFZOIPZHWMLGG-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.49
Rot. Bonds2

About 2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine

2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine (PubChem CID 66102264) has the molecular formula C12H18FIN2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine
PubChem CID66102264
Molecular FormulaC12H18FIN2
Molecular Weight336.19 g/mol
Exact Mass336.05
IUPAC Name2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine
SMILESCN(CC(C)(C)C)c1cc(F)c(I)cc1N
InChIInChI=1S/C12H18FIN2/c1-12(2,3)7-16(4)11-5-8(13)9(14)6-10(11)15/h5-6H,7,15H2,1-4H3
InChIKeyADFZOIPZHWMLGG-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine (CID 66102264) is 2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine is CN(CC(C)(C)C)c1cc(F)c(I)cc1N.
What is the InChIKey of 2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine?
The InChIKey is ADFZOIPZHWMLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FIN2/c1-12(2,3)7-16(4)11-5-8(13)9(14)6-10(11)15/h5-6H,7,15H2,1-4H3.
What are the key properties of 2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine?
2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine has a molecular weight of 336.19 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 66102264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).